#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x20 s ASP 1 N 0.00 0.41 0.21 0.00 1.47 -1.26 -5.04 116.67 112.46 2x20 s ASP 1 Ca 0.00 -1.26 -0.04 0.00 1.18 0.00 0.00 52.55 52.42 2x20 s ASP 1 Cb 0.00 0.74 0.17 0.00 -0.34 0.00 0.00 42.92 43.49 2x20 s ASP 1 CO 0.00 -1.45 1.60 -0.33 0.68 0.00 0.00 175.17 175.67 2x20 h GLU 2 N 2.07 0.74 -0.93 2.11 4.39 -1.99 -2.19 114.58 118.78 2x20 h GLU 2 Ca -0.29 -0.33 0.06 0.00 0.34 0.00 0.00 59.36 59.14 2x20 h GLU 2 Cb 1.25 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 2x20 h GLU 2 CO 0.39 0.94 0.60 0.82 -1.16 0.00 0.00 179.01 180.60 2x20 h ILE 3 N 0.63 1.09 -0.42 3.13 2.04 -1.96 0.87 117.51 122.89 2x20 h ILE 3 Ca 0.08 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2x20 h ILE 3 Cb 0.80 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2x20 h ILE 3 CO 0.07 0.20 0.12 1.23 0.00 0.00 0.00 178.15 179.76 2x20 h GLY 4 N 1.09 0.72 1.01 5.37 0.00 -1.82 0.17 103.07 109.60 2x20 h GLY 4 Ca 0.39 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2x20 h GLY 4 CO -0.14 0.41 0.38 -0.55 0.00 0.00 0.00 176.54 176.63 2x20 h ASP 5 N 0.54 0.90 -0.11 0.19 3.32 -0.97 -2.84 116.42 117.45 2x20 h ASP 5 Ca 0.13 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 2x20 h ASP 5 Cb 0.29 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2x20 h ASP 5 CO -0.00 0.75 -0.23 0.00 -1.72 0.00 0.00 179.24 178.03 2x20 h ALA 6 N 1.19 1.07 -0.37 3.45 0.00 -0.40 -2.78 119.26 121.41 2x20 h ALA 6 Ca 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2x20 h ALA 6 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2x20 h ALA 6 CO -0.04 0.57 0.11 0.00 0.00 0.00 0.00 179.25 179.89 2x20 h ALA 7 N 1.27 1.50 -0.25 0.00 0.00 -0.50 -0.49 119.26 120.79 2x20 h ALA 7 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2x20 h ALA 7 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2x20 h ALA 7 CO 0.05 0.38 0.04 -0.22 0.00 0.00 0.00 179.25 179.49 2x20 h LYS 8 N 0.53 0.42 -0.64 0.00 3.11 -1.26 -1.09 116.57 117.64 2x20 h LYS 8 Ca 0.13 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.82 2x20 h LYS 8 Cb 0.18 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 2x20 h LYS 8 CO -0.01 0.55 0.25 0.87 -2.81 0.00 0.00 179.45 178.31 2x20 h LYS 9 N 0.23 0.93 -0.96 1.90 1.57 -1.34 -2.43 116.57 116.47 2x20 h LYS 9 Ca 0.08 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2x20 h LYS 9 Cb 0.34 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 2x20 h LYS 9 CO 0.01 0.76 0.62 1.25 -0.57 0.00 0.00 179.45 181.51 2x20 h LEU 10 N 0.92 1.12 -0.50 2.94 5.85 -0.96 -2.38 115.31 122.30 2x20 h LEU 10 Ca 0.22 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2x20 h LEU 10 Cb 0.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2x20 h LEU 10 CO -0.02 0.83 0.18 1.23 -0.34 0.00 0.00 178.44 180.32 2x20 h GLY 11 N 1.31 0.81 0.35 3.75 0.00 -0.87 0.11 103.07 108.54 2x20 h GLY 11 Ca 0.35 -0.46 0.13 0.00 0.00 0.00 0.00 47.33 47.35 2x20 h GLY 11 CO -0.07 0.43 0.50 -0.55 0.00 0.00 0.00 176.54 176.85 2x20 h ASP 12 N 0.66 0.68 1.44 0.19 3.32 -1.18 0.11 116.42 121.64 2x20 h ASP 12 Ca 0.16 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 2x20 h ASP 12 Cb 0.23 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2x20 h ASP 12 CO -0.01 0.33 -0.55 0.00 -1.72 0.00 0.00 179.24 177.29 2x20 h ALA 13 N 1.53 0.65 0.00 3.45 0.00 -0.90 -3.41 119.26 120.59 2x20 h ALA 13 Ca 0.46 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x20 h ALA 13 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2x20 h ALA 13 CO -0.31 0.68 -0.57 -1.13 0.00 0.00 0.00 179.25 177.93 2x20 n SER 14 N -3.24 2.83 0.20 0.00 3.41 0.32 -2.63 113.62 114.52 2x20 n SER 14 Ca 0.02 -0.19 0.06 0.00 -0.26 0.00 0.00 58.87 58.49 2x20 n SER 14 Cb 0.75 0.95 0.42 0.00 -0.26 0.00 0.00 64.21 66.07 2x20 n SER 14 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2x20 h TYR 15 N 0.00 0.00 -0.49 7.33 3.20 -1.18 -1.97 116.97 123.86 2x20 h TYR 15 Ca 0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2x20 h TYR 15 Cb 0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2x20 h TYR 15 CO 0.00 0.33 0.03 0.00 -1.64 0.00 0.00 178.16 176.87 2x20 h ALA 16 N 1.67 0.66 -0.52 1.82 0.00 -1.85 -1.44 119.26 119.60 2x20 h ALA 16 Ca -0.00 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2x20 h ALA 16 Cb 0.68 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2x20 h ALA 16 CO 0.04 0.44 0.26 0.35 0.00 0.00 0.00 179.25 180.34 2x20 h PHE 17 N 0.71 0.47 -0.66 0.00 3.57 -1.72 -2.75 116.94 116.56 2x20 h PHE 17 Ca 0.14 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2x20 h PHE 17 Cb 0.48 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2x20 h PHE 17 CO 0.04 0.22 0.40 0.00 -2.23 0.00 0.00 178.31 176.74 2x20 h ALA 18 N 1.29 0.87 0.00 2.41 0.00 -0.84 -0.46 119.26 122.53 2x20 h ALA 18 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2x20 h ALA 18 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2x20 h ALA 18 CO -0.17 0.14 -0.08 0.87 0.00 0.00 0.00 179.25 180.01 2x20 h LYS 19 N 0.78 0.00 0.00 0.00 1.57 -1.09 -2.91 116.57 114.92 2x20 h LYS 19 Ca 0.27 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 2x20 h LYS 19 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2x20 h LYS 19 CO -0.12 0.08 -0.90 0.93 -0.57 0.00 0.00 179.45 178.87 2x20 h GLU 20 N 0.00 0.00 -6.77 3.15 5.08 -0.80 -3.46 114.58 111.78 2x20 h GLU 20 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2x20 h GLU 20 Cb 0.27 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.57 2x20 h GLU 20 CO 0.01 0.20 0.67 0.08 -1.00 0.00 0.00 179.01 178.97 2x20 s VAL 21 N -3.11 2.92 -0.92 3.13 1.01 -1.01 -4.79 120.40 117.63 2x20 s VAL 21 Ca 0.01 0.81 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 2x20 s VAL 21 Cb 0.08 -3.52 0.11 0.00 0.00 0.00 0.00 36.38 33.06 2x20 s VAL 21 CO 0.77 0.15 1.16 -0.62 0.00 0.00 0.00 175.10 176.56 2x20 s ASP 22 N 0.03 6.58 0.31 3.32 2.15 -1.26 -4.82 116.67 122.97 2x20 s ASP 22 Ca 0.54 -1.88 0.25 0.00 0.43 0.00 0.00 52.55 51.89 2x20 s ASP 22 Cb -0.39 -2.43 1.09 0.00 -0.30 0.00 0.00 42.92 40.89 2x20 s ASP 22 CO 0.44 -1.16 1.75 -0.50 -0.17 0.00 0.00 175.17 175.53 2x20 h TRP 23 N 9.03 0.00 -0.12 -5.34 4.06 -1.62 -1.64 115.95 120.33 2x20 h TRP 23 Ca 0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 2x20 h TRP 23 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 2x20 h TRP 23 CO 1.17 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 176.14 2x20 n ASN 24 N -2.35 1.15 -4.73 -3.49 3.02 -1.25 -4.92 115.26 102.70 2x20 n ASN 24 Ca 0.01 -1.63 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 2x20 n ASN 24 Cb 0.20 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 2x20 n ASN 24 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2x20 s ASN 25 N -1.55 6.81 0.35 6.41 3.84 -0.62 -4.90 114.94 125.29 2x20 s ASN 25 Ca 0.30 2.41 0.26 0.00 0.21 0.00 0.00 52.86 56.04 2x20 s ASN 25 Cb 0.16 -2.60 1.21 0.00 -0.55 0.00 0.00 41.25 39.47 2x20 s ASN 25 CO 0.24 -0.63 1.79 1.23 -2.79 0.00 0.00 177.10 176.95 2x20 h GLY 26 N 6.11 0.00 0.27 1.21 0.00 -1.91 -3.32 103.07 105.42 2x20 h GLY 26 Ca -0.43 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.12 2x20 h GLY 26 CO 0.83 0.00 0.61 1.19 0.00 0.00 0.00 176.54 179.17 2x20 h ILE 27 N 0.00 0.63 0.00 2.60 2.10 -1.97 -2.15 117.51 118.72 2x20 h ILE 27 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 2x20 h ILE 27 Cb 0.26 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 36.33 2x20 h ILE 27 CO 0.00 0.05 0.00 -0.26 -1.08 0.00 0.00 178.15 176.86 2x20 h PHE 28 N 0.26 0.00 0.00 2.19 0.04 -1.97 -0.77 116.94 116.69 2x20 h PHE 28 Ca 0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.23 2x20 h PHE 28 Cb 1.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.51 2x20 h PHE 28 CO -0.00 0.00 -0.36 -0.11 -0.60 0.00 0.00 178.31 177.24 2x20 n LEU 29 N -2.45 0.68 -4.81 1.54 7.94 -0.81 -4.88 117.00 114.22 2x20 n LEU 29 Ca -0.00 0.35 -0.33 0.00 -1.11 0.00 0.00 56.01 54.92 2x20 n LEU 29 Cb 0.14 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 43.81 2x20 n LEU 29 CO 0.17 -0.08 0.70 -1.10 -1.11 0.00 0.00 177.39 175.97 2x20 s GLN 30 N -3.12 3.75 0.45 1.96 -0.21 -0.29 -5.03 119.66 117.16 2x20 s GLN 30 Ca 0.09 1.25 -0.24 0.00 0.02 0.00 0.00 55.36 56.47 2x20 s GLN 30 Cb 0.14 -2.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.98 2x20 s GLN 30 CO 0.66 -0.46 1.31 0.00 -2.12 0.00 0.00 175.29 174.69 2x20 s ALA 31 N -2.19 3.11 -1.44 6.09 0.00 -1.26 -4.88 121.76 121.19 2x20 s ALA 31 Ca 0.65 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.72 2x20 s ALA 31 Cb -0.15 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.52 2x20 s ALA 31 CO 0.24 -0.98 2.20 -0.35 0.00 0.00 0.00 175.76 176.88 2x20 n PRO 32 N -0.28 2.96 0.00 0.00 -0.04 -1.26 -4.74 135.00 131.64 2x20 n PRO 32 Ca 0.06 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 2x20 n PRO 32 Cb 0.44 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 2x20 n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x20 n GLY 33 N 3.93 0.24 3.73 0.55 0.00 -1.26 -0.16 105.19 112.22 2x20 n GLY 33 Ca 0.51 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2x20 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x20 s LYS 34 N -0.01 4.49 0.04 1.61 -0.14 -1.26 -4.98 119.74 119.50 2x20 s LYS 34 Ca 0.00 1.85 -0.30 0.00 -1.36 0.00 0.00 55.97 56.16 2x20 s LYS 34 Cb 0.00 -3.26 -0.07 0.00 -1.68 0.00 0.00 37.83 32.82 2x20 s LYS 34 CO 0.00 -0.10 1.57 -1.17 -0.76 0.00 0.00 175.35 174.89 2x20 s LEU 35 N -0.07 4.35 -0.43 3.17 1.98 -1.26 -4.97 118.68 121.45 2x20 s LEU 35 Ca 0.53 2.36 0.02 0.00 -2.89 0.00 0.00 54.13 54.16 2x20 s LEU 35 Cb -0.32 -3.56 0.15 0.00 0.66 0.00 0.00 46.19 43.12 2x20 s LEU 35 CO 0.35 -0.83 0.29 -1.10 -1.89 0.00 0.00 176.35 173.17 2x20 s GLN 36 N 2.60 1.03 0.34 1.98 -0.21 -1.26 -5.02 119.66 119.13 2x20 s GLN 36 Ca 0.71 -1.96 0.03 0.00 0.02 0.00 0.00 55.36 54.15 2x20 s GLN 36 Cb -0.37 -1.79 0.62 0.00 1.00 0.00 0.00 33.01 32.48 2x20 s GLN 36 CO 0.30 -1.27 1.94 -1.00 -2.12 0.00 0.00 175.29 173.14 2x20 h PRO 37 N 6.29 0.67 -0.43 2.91 0.13 -1.98 -0.65 132.00 138.93 2x20 h PRO 37 Ca 0.13 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 2x20 h PRO 37 Cb 0.92 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2x20 h PRO 37 CO 0.40 0.55 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.58 2x20 h LEU 38 N 0.66 0.81 -0.53 1.56 3.38 -2.00 -0.22 115.31 118.98 2x20 h LEU 38 Ca 0.16 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2x20 h LEU 38 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2x20 h LEU 38 CO -0.02 0.97 -0.33 -0.33 0.09 0.00 0.00 178.44 178.83 2x20 h GLU 39 N 0.65 0.83 -0.57 1.13 3.07 -1.91 -3.04 114.58 114.74 2x20 h GLU 39 Ca 0.11 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 58.51 2x20 h GLU 39 Cb 0.60 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2x20 h GLU 39 CO 0.04 1.04 0.10 0.00 -1.40 0.00 0.00 179.01 178.78 2x20 h ALA 40 N 0.93 1.11 -0.31 3.43 0.00 -0.97 -2.01 119.26 121.44 2x20 h ALA 40 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2x20 h ALA 40 Cb 0.88 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2x20 h ALA 40 CO 0.08 0.59 0.04 1.25 0.00 0.00 0.00 179.25 181.20 2x20 h LEU 41 N 0.85 0.41 -0.58 0.00 5.85 -0.98 0.12 115.31 120.99 2x20 h LEU 41 Ca 0.18 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 2x20 h LEU 41 Cb 0.37 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2x20 h LEU 41 CO 0.01 0.45 -0.19 0.11 -0.34 0.00 0.00 178.44 178.48 2x20 h LYS 42 N 0.44 0.93 -0.15 1.25 1.57 -1.26 0.25 116.57 119.60 2x20 h LYS 42 Ca 0.10 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2x20 h LYS 42 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2x20 h LYS 42 CO 0.00 1.03 -0.00 0.00 -0.57 0.00 0.00 179.45 179.91 2x20 h ALA 43 N 0.96 0.20 -0.74 3.86 0.00 -1.13 -1.62 119.26 120.80 2x20 h ALA 43 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2x20 h ALA 43 Cb 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2x20 h ALA 43 CO 0.06 -0.09 0.41 0.82 0.00 0.00 0.00 179.25 180.45 2x20 h ILE 44 N 0.00 1.22 -0.58 0.00 1.08 -0.54 -1.41 117.51 117.28 2x20 h ILE 44 Ca 0.04 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 2x20 h ILE 44 Cb 0.38 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 2x20 h ILE 44 CO 0.01 0.24 0.32 -0.78 -0.69 0.00 0.00 178.15 177.25 2x20 h ASP 45 N 1.02 0.71 -0.97 1.72 3.58 -0.28 0.01 116.42 122.22 2x20 h ASP 45 Ca 0.26 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.66 2x20 h ASP 45 Cb 0.01 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.83 2x20 h ASP 45 CO -0.04 0.59 0.64 0.11 -2.88 0.00 0.00 179.24 177.65 2x20 h LYS 46 N 0.78 1.20 -0.40 0.28 1.79 -0.60 -0.90 116.57 118.72 2x20 h LYS 46 Ca 0.20 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 2x20 h LYS 46 Cb 0.03 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.39 2x20 h LYS 46 CO -0.03 0.79 0.07 0.52 -1.08 0.00 0.00 179.45 179.72 2x20 h MET 47 N 1.24 0.65 -0.68 3.15 2.86 -0.46 -1.71 114.93 119.99 2x20 h MET 47 Ca 0.38 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.87 2x20 h MET 47 Cb -0.02 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 2x20 h MET 47 CO -0.11 0.70 0.43 0.82 1.06 0.00 0.00 176.91 179.80 2x20 h ILE 48 N 0.51 1.10 -0.40 -1.22 2.04 -0.47 0.16 117.51 119.23 2x20 h ILE 48 Ca 0.12 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.73 2x20 h ILE 48 Cb 0.36 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2x20 h ILE 48 CO 0.01 0.15 0.18 0.58 0.00 0.00 0.00 178.15 179.07 2x20 h VAL 49 N 0.84 0.95 -0.57 1.67 2.07 -1.14 -0.56 116.25 119.50 2x20 h VAL 49 Ca 0.27 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 2x20 h VAL 49 Cb 0.00 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2x20 h VAL 49 CO -0.10 0.07 0.14 -0.03 0.02 0.00 0.00 177.57 177.67 2x20 h MET 50 N 0.38 0.92 -0.59 1.57 1.85 -0.83 -1.52 114.93 116.71 2x20 h MET 50 Ca 0.18 -0.22 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2x20 h MET 50 Cb 0.10 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 31.99 2x20 h MET 50 CO -0.14 0.85 0.25 0.78 -0.40 0.00 0.00 176.91 178.25 2x20 h GLY 51 N 0.82 0.91 2.00 1.39 0.00 -0.28 -1.06 103.07 106.84 2x20 h GLY 51 Ca 0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 2x20 h GLY 51 CO 0.00 0.42 -0.48 0.00 0.00 0.00 0.00 176.54 176.49 2x20 h ALA 52 N 1.44 1.08 0.00 3.60 0.00 -0.92 -3.06 119.26 121.40 2x20 h ALA 52 Ca 0.20 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2x20 h ALA 52 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2x20 h ALA 52 CO -0.02 0.59 -0.06 0.00 0.00 0.00 0.00 179.25 179.77 2x20 h ALA 53 N 1.52 0.97 -2.45 0.00 0.00 -0.32 -3.47 119.26 115.51 2x20 h ALA 53 Ca -0.00 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.35 2x20 h ALA 53 Cb 0.91 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.79 2x20 h ALA 53 CO 0.06 0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.76 2x20 s ALA 54 N -3.23 2.54 0.09 0.00 0.00 -0.50 -4.77 121.76 115.90 2x20 s ALA 54 Ca 0.06 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 2x20 s ALA 54 Cb 0.06 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2x20 s ALA 54 CO 0.67 -1.14 1.43 0.34 0.00 0.00 0.00 175.76 177.06 2x20 s ASP 55 N -2.55 6.79 0.30 0.00 -1.08 -1.26 -4.90 116.67 113.97 2x20 s ASP 55 Ca 0.67 2.32 0.02 0.00 -0.52 0.00 0.00 52.55 55.04 2x20 s ASP 55 Cb -0.20 -2.58 0.46 0.00 -1.46 0.00 0.00 42.92 39.15 2x20 s ASP 55 CO 0.39 -0.71 1.79 -0.65 0.52 0.00 0.00 175.17 176.52 2x20 h PRO 56 N 7.17 0.59 -0.56 4.34 0.11 -1.93 -1.56 132.00 140.16 2x20 h PRO 56 Ca -0.41 -0.16 -0.05 0.00 0.11 0.00 0.00 66.00 65.48 2x20 h PRO 56 Cb 1.20 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2x20 h PRO 56 CO 0.88 0.67 0.14 0.87 -0.21 0.00 0.00 178.00 180.35 2x20 h LYS 57 N 0.55 0.86 -0.03 1.05 1.57 -1.99 -1.16 116.57 117.41 2x20 h LYS 57 Ca 0.10 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 2x20 h LYS 57 Cb 0.47 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2x20 h LYS 57 CO 0.03 0.77 -0.71 -0.07 -0.57 0.00 0.00 179.45 178.89 2x20 h LEU 58 N 0.83 0.23 -0.46 2.94 3.38 -1.80 -0.08 115.31 120.35 2x20 h LEU 58 Ca 0.18 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2x20 h LEU 58 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2x20 h LEU 58 CO -0.00 0.87 -0.34 -0.07 0.09 0.00 0.00 178.44 178.98 2x20 h LEU 59 N 0.13 0.95 -0.37 1.67 3.38 -1.13 -1.28 115.31 118.66 2x20 h LEU 59 Ca -0.02 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2x20 h LEU 59 Cb 1.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2x20 h LEU 59 CO 0.11 1.20 0.18 0.50 0.09 0.00 0.00 178.44 180.52 2x20 h LYS 60 N 0.75 0.36 -0.21 1.13 3.64 -1.09 -1.17 116.57 119.98 2x20 h LYS 60 Ca 0.07 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2x20 h LYS 60 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2x20 h LYS 60 CO 0.09 0.24 -0.17 0.00 -2.27 0.00 0.00 179.45 177.34 2x20 h ALA 61 N 1.20 1.31 -0.17 5.00 0.00 -0.81 -2.00 119.26 123.80 2x20 h ALA 61 Ca 0.16 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2x20 h ALA 61 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2x20 h ALA 61 CO -0.11 0.46 -0.49 0.00 0.00 0.00 0.00 179.25 179.11 2x20 h ALA 62 N 1.49 0.84 -0.24 0.00 0.00 -0.83 -0.76 119.26 119.76 2x20 h ALA 62 Ca 0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2x20 h ALA 62 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2x20 h ALA 62 CO 0.03 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.89 2x20 h ALA 63 N 1.11 0.33 -0.36 0.00 0.00 -0.86 -2.54 119.26 116.94 2x20 h ALA 63 Ca 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2x20 h ALA 63 Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2x20 h ALA 63 CO 0.09 0.13 0.06 1.49 0.00 0.00 0.00 179.25 181.01 2x20 h GLU 64 N 0.20 0.54 -0.69 0.00 4.57 -1.24 -0.08 114.58 117.89 2x20 h GLU 64 Ca 0.06 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2x20 h GLU 64 Cb 0.52 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 2x20 h GLU 64 CO 0.02 0.53 0.26 0.00 -1.18 0.00 0.00 179.01 178.65 2x20 h ALA 65 N 1.54 1.17 -0.41 2.92 0.00 -1.05 -1.52 119.26 121.91 2x20 h ALA 65 Ca 0.12 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2x20 h ALA 65 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2x20 h ALA 65 CO 0.00 0.60 -0.16 0.45 0.00 0.00 0.00 179.25 180.14 2x20 h HIS 66 N 1.00 0.95 -0.56 0.00 3.86 -0.90 -1.03 115.15 118.48 2x20 h HIS 66 Ca 0.23 -0.23 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2x20 h HIS 66 Cb 0.21 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 2x20 h HIS 66 CO 0.02 0.98 0.33 1.25 0.86 0.00 0.00 177.93 181.37 2x20 h HIS 67 N 0.65 0.62 -0.81 2.45 6.17 -0.82 -1.14 115.15 122.26 2x20 h HIS 67 Ca 0.10 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 2x20 h HIS 67 Cb 0.71 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 30.40 2x20 h HIS 67 CO 0.05 0.35 0.43 -0.22 0.71 0.00 0.00 177.93 179.25 2x20 h LYS 68 N 0.65 1.14 -0.60 5.26 3.64 -1.22 -2.80 116.57 122.64 2x20 h LYS 68 Ca 0.23 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2x20 h LYS 68 Cb 0.04 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2x20 h LYS 68 CO -0.11 0.85 0.19 0.00 -2.27 0.00 0.00 179.45 178.11 2x20 h ALA 69 N 1.33 1.20 -0.43 5.00 0.00 -0.65 -2.26 119.26 123.45 2x20 h ALA 69 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2x20 h ALA 69 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2x20 h ALA 69 CO -0.04 0.56 0.07 0.82 0.00 0.00 0.00 179.25 180.66 2x20 h ILE 70 N 0.88 1.20 0.00 0.00 2.04 -0.97 -1.86 117.51 118.81 2x20 h ILE 70 Ca 0.20 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2x20 h ILE 70 Cb 0.26 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2x20 h ILE 70 CO -0.01 0.27 -0.06 1.23 0.00 0.00 0.00 178.15 179.58 2x20 h GLY 71 N 0.88 0.00 -1.97 5.37 0.00 -1.25 -3.00 103.07 103.09 2x20 h GLY 71 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2x20 h GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 2x20 n SER 72 N -3.43 3.73 -4.74 0.19 3.41 -0.71 -4.99 113.62 107.09 2x20 n SER 72 Ca -0.02 -2.33 -0.42 0.00 -0.26 0.00 0.00 58.87 55.85 2x20 n SER 72 Cb 0.20 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 2x20 n SER 72 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2x20 s VAL 73 N -1.60 2.01 0.28 -3.33 1.01 -1.14 -3.57 120.40 114.06 2x20 s VAL 73 Ca 0.37 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2x20 s VAL 73 Cb 0.24 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2x20 s VAL 73 CO 0.19 0.00 0.59 -0.94 0.00 0.00 0.00 175.10 174.94 2x20 s SER 74 N 0.77 -0.08 0.01 3.32 1.04 -0.72 -4.96 113.70 113.06 2x20 s SER 74 Ca 0.68 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2x20 s SER 74 Cb -0.49 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2x20 s SER 74 CO 0.42 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2x20 n GLY 75 N -0.44 -1.54 0.00 7.32 0.00 -1.26 -3.23 105.19 106.05 2x20 n GLY 75 Ca -0.03 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.60 2x20 n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x20 n PRO 76 N -1.62 0.05 -0.03 1.61 -0.04 -1.26 -3.28 135.00 130.43 2x20 n PRO 76 Ca -0.00 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2x20 n PRO 76 Cb 0.01 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.08 2x20 n PRO 76 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2x20 n ASN 77 N -1.48 2.94 -1.80 3.54 4.13 -1.26 -4.89 115.26 116.44 2x20 n ASN 77 Ca 0.07 -1.94 -0.14 0.00 1.68 0.00 0.00 54.58 54.26 2x20 n ASN 77 Cb 0.31 -0.03 0.01 0.00 -1.54 0.00 0.00 39.78 38.52 2x20 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x20 n GLY 78 N 1.28 -0.13 3.74 7.41 0.00 -1.21 -1.59 105.19 114.70 2x20 n GLY 78 Ca 0.14 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2x20 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x20 s VAL 79 N -2.82 4.87 1.07 1.61 0.11 -1.20 -4.75 120.40 119.29 2x20 s VAL 79 Ca 0.11 1.46 -0.15 0.00 -2.93 0.00 0.00 61.98 60.47 2x20 s VAL 79 Cb -0.05 -4.04 0.22 0.00 -1.53 0.00 0.00 36.38 30.99 2x20 s VAL 79 CO 0.14 0.35 1.11 0.28 -3.33 0.00 0.00 175.10 173.64 2x20 s THR 80 N 0.13 1.87 0.73 5.04 -1.32 -1.26 -1.76 115.64 119.07 2x20 s THR 80 Ca 0.36 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.71 2x20 s THR 80 Cb -0.19 -2.52 0.04 0.00 -1.51 0.00 0.00 72.50 68.32 2x20 s THR 80 CO 0.20 0.00 1.10 -0.94 -2.21 0.00 0.00 174.62 172.77 2x20 s SER 81 N -3.66 4.67 0.25 8.08 1.04 -1.23 -4.80 113.70 118.03 2x20 s SER 81 Ca 0.67 1.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.98 2x20 s SER 81 Cb -0.15 -2.54 0.37 0.00 0.10 0.00 0.00 66.02 63.80 2x20 s SER 81 CO 0.57 -1.93 1.84 -0.09 0.98 0.00 0.00 173.24 174.61 2x20 h ARG 82 N -0.68 0.91 -0.67 4.02 9.65 -1.95 0.56 114.38 126.21 2x20 h ARG 82 Ca -0.45 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.31 2x20 h ARG 82 Cb 1.24 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.59 2x20 h ARG 82 CO 0.52 0.60 0.17 0.00 2.80 0.00 0.00 179.97 184.06 2x20 h ALA 83 N 1.43 0.88 -0.02 2.80 0.00 -2.00 -1.45 119.26 120.91 2x20 h ALA 83 Ca 0.39 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2x20 h ALA 83 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2x20 h ALA 83 CO -0.20 0.60 -0.75 -0.44 0.00 0.00 0.00 179.25 178.46 2x20 h ASP 84 N 1.00 0.16 0.00 0.00 3.32 -1.78 -1.47 116.42 117.64 2x20 h ASP 84 Ca 0.21 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2x20 h ASP 84 Cb 0.36 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2x20 h ASP 84 CO 0.00 0.85 -0.09 -0.25 -1.72 0.00 0.00 179.24 178.03 2x20 h TRP 85 N 0.08 -0.22 -0.78 4.55 2.91 -0.58 -1.11 115.95 120.79 2x20 h TRP 85 Ca -0.02 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 2x20 h TRP 85 Cb 1.32 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 30.03 2x20 h TRP 85 CO 0.02 -0.14 0.45 -0.44 -1.03 0.00 0.00 178.44 177.30 2x20 h ASP 86 N -0.15 0.95 -0.57 2.65 5.19 -1.18 -1.61 116.42 121.70 2x20 h ASP 86 Ca 0.03 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 2x20 h ASP 86 Cb 0.19 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 2x20 h ASP 86 CO -0.09 0.76 0.18 0.28 -3.12 0.00 0.00 179.24 177.24 2x20 h SER 87 N 1.07 0.86 -0.04 6.45 0.02 -1.10 -0.71 113.55 120.11 2x20 h SER 87 Ca 0.28 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2x20 h SER 87 Cb -0.00 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 2x20 h SER 87 CO -0.05 0.82 -0.00 0.58 -1.14 0.00 0.00 176.83 177.04 2x20 h VAL 88 N 0.89 1.26 -0.90 2.27 2.07 -1.00 -2.06 116.25 118.79 2x20 h VAL 88 Ca 0.20 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.94 2x20 h VAL 88 Cb 0.28 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2x20 h VAL 88 CO -0.01 0.21 0.60 0.78 0.02 0.00 0.00 177.57 179.17 2x20 h ASN 89 N -0.24 1.03 -0.49 0.57 2.35 -1.09 -0.15 115.58 117.55 2x20 h ASN 89 Ca 0.01 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2x20 h ASN 89 Cb 0.34 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2x20 h ASN 89 CO 0.00 0.74 -0.11 0.00 -1.65 0.00 0.00 177.43 176.41 2x20 h ALA 90 N 1.44 0.68 -0.25 -0.83 0.00 -1.13 0.68 119.26 119.85 2x20 h ALA 90 Ca 0.33 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2x20 h ALA 90 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2x20 h ALA 90 CO -0.07 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 179.34 2x20 h ALA 91 N 0.89 0.80 -0.30 0.00 0.00 -0.87 -1.03 119.26 118.76 2x20 h ALA 91 Ca 0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2x20 h ALA 91 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2x20 h ALA 91 CO 0.05 0.65 -0.22 -0.07 0.00 0.00 0.00 179.25 179.66 2x20 h LEU 92 N 0.50 0.71 -0.86 0.00 3.38 -0.88 -2.27 115.31 115.90 2x20 h LEU 92 Ca 0.04 -0.44 0.15 0.00 0.09 0.00 0.00 57.88 57.71 2x20 h LEU 92 Cb 0.93 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 2x20 h LEU 92 CO 0.08 1.00 0.45 1.23 0.09 0.00 0.00 178.44 181.29 2x20 h GLY 93 N 0.42 1.40 1.07 0.83 0.00 -0.61 -0.27 103.07 105.92 2x20 h GLY 93 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2x20 h GLY 93 CO 0.06 -0.04 0.08 3.21 0.00 0.00 0.00 176.54 179.85 2x20 h ARG 94 N 0.63 1.08 -0.17 4.80 3.08 -0.98 -0.73 114.38 122.09 2x20 h ARG 94 Ca 0.47 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2x20 h ARG 94 Cb 0.66 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2x20 h ARG 94 CO -0.36 1.01 0.11 0.28 -1.07 0.00 0.00 179.97 179.94 2x20 h VAL 95 N 1.00 1.05 -0.71 2.04 2.07 -0.81 -2.17 116.25 118.72 2x20 h VAL 95 Ca 0.19 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2x20 h VAL 95 Cb 0.47 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2x20 h VAL 95 CO 0.02 0.05 0.45 0.40 0.02 0.00 0.00 177.57 178.51 2x20 h ILE 96 N 0.22 1.12 0.00 4.57 1.08 -0.87 -0.77 117.51 122.86 2x20 h ILE 96 Ca 0.06 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2x20 h ILE 96 Cb -0.01 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 2x20 h ILE 96 CO -0.01 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 177.61 2x20 h ALA 97 N 1.29 1.00 -0.01 1.87 0.00 -0.95 -2.92 119.26 119.54 2x20 h ALA 97 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2x20 h ALA 97 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2x20 h ALA 97 CO -0.10 0.00 -0.04 -1.13 0.00 0.00 0.00 179.25 177.98 2x20 n SER 98 N -2.59 0.71 -4.37 0.00 3.41 -0.29 -4.33 113.62 106.15 2x20 n SER 98 Ca 0.01 -1.05 -0.20 0.00 -0.26 0.00 0.00 58.87 57.37 2x20 n SER 98 Cb 0.23 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 2x20 n SER 98 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2x20 s VAL 99 N -2.16 1.92 0.43 -3.33 -7.23 -1.10 -4.50 120.40 104.43 2x20 s VAL 99 Ca 0.38 -2.24 -0.26 0.00 -1.81 0.00 0.00 61.98 58.05 2x20 s VAL 99 Cb 0.21 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 2x20 s VAL 99 CO 0.39 -0.53 1.39 -2.84 -0.31 0.00 0.00 175.10 173.21 2x20 s PRO 100 N -3.55 3.83 0.38 4.82 0.02 -1.26 -4.88 135.00 134.36 2x20 s PRO 100 Ca 0.24 2.35 0.15 0.00 0.02 0.00 0.00 61.00 63.76 2x20 s PRO 100 Cb -0.02 -2.73 0.99 0.00 0.02 0.00 0.00 34.50 32.76 2x20 s PRO 100 CO 0.09 -0.68 1.81 1.49 -0.33 0.00 0.00 177.00 179.38 2x20 h GLU 101 N 2.53 0.49 -0.30 5.54 4.81 -1.96 -1.14 114.58 124.55 2x20 h GLU 101 Ca -0.50 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 2x20 h GLU 101 Cb 1.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2x20 h GLU 101 CO 0.62 0.33 -0.11 -0.97 -0.73 0.00 0.00 179.01 178.14 2x20 h ASN 102 N 0.51 0.49 -0.58 1.04 -1.24 -1.99 -1.35 115.58 112.45 2x20 h ASN 102 Ca 0.54 -0.12 -0.03 0.00 0.71 0.00 0.00 56.30 57.39 2x20 h ASN 102 Cb 1.20 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 40.09 2x20 h ASN 102 CO -0.27 0.64 0.26 0.24 -1.29 0.00 0.00 177.43 177.01 2x20 h MET 103 N 0.47 0.88 -0.26 6.67 2.86 -1.57 -0.45 114.93 123.54 2x20 h MET 103 Ca 0.09 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2x20 h MET 103 Cb 0.48 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2x20 h MET 103 CO 0.03 0.71 -0.19 0.28 1.06 0.00 0.00 176.91 178.80 2x20 h VAL 104 N 0.87 1.31 -0.65 -2.22 2.07 -1.21 -2.96 116.25 113.46 2x20 h VAL 104 Ca 0.21 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.42 2x20 h VAL 104 Cb 0.15 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2x20 h VAL 104 CO -0.02 0.42 0.43 -0.03 0.02 0.00 0.00 177.57 178.38 2x20 h MET 105 N 0.31 0.85 -0.90 1.57 -1.53 -1.17 -2.04 114.93 112.02 2x20 h MET 105 Ca 0.05 -0.05 0.04 0.00 -3.44 0.00 0.00 59.70 56.30 2x20 h MET 105 Cb 0.73 -0.19 -0.06 0.00 -0.55 0.00 0.00 31.60 31.53 2x20 h MET 105 CO 0.05 0.56 0.58 -0.44 0.14 0.00 0.00 176.91 177.80 2x20 h ASP 106 N 0.87 0.94 -0.21 1.39 3.32 -1.08 0.14 116.42 121.80 2x20 h ASP 106 Ca 0.24 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2x20 h ASP 106 Cb -0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 2x20 h ASP 106 CO -0.06 0.63 0.09 0.58 -1.72 0.00 0.00 179.24 178.77 2x20 h VAL 107 N 1.10 1.16 -0.28 -1.35 2.07 -1.30 -1.84 116.25 115.80 2x20 h VAL 107 Ca 0.37 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2x20 h VAL 107 Cb 0.06 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2x20 h VAL 107 CO -0.14 0.15 0.17 0.22 0.02 0.00 0.00 177.57 178.00 2x20 h TYR 108 N 0.20 0.37 -0.44 1.57 3.20 -0.87 -0.89 116.97 120.11 2x20 h TYR 108 Ca 0.07 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2x20 h TYR 108 Cb 0.16 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2x20 h TYR 108 CO -0.01 0.27 0.27 -0.44 -1.64 0.00 0.00 178.16 176.61 2x20 h ASP 109 N 0.36 0.52 -0.17 -2.11 3.32 -0.80 -1.35 116.42 116.17 2x20 h ASP 109 Ca 0.10 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 2x20 h ASP 109 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2x20 h ASP 109 CO -0.02 0.41 -0.22 0.28 -1.72 0.00 0.00 179.24 177.97 2x20 h SER 110 N 0.58 0.62 -0.25 6.45 0.02 -1.14 -2.26 113.55 117.57 2x20 h SER 110 Ca 0.16 -0.21 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 2x20 h SER 110 Cb -0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2x20 h SER 110 CO -0.03 0.84 -0.59 0.58 -1.14 0.00 0.00 176.83 176.49 2x20 h VAL 111 N 0.55 1.28 -1.00 2.27 2.07 -1.11 -3.03 116.25 117.27 2x20 h VAL 111 Ca 0.08 -1.78 0.08 0.00 0.82 0.00 0.00 66.70 65.90 2x20 h VAL 111 Cb 0.68 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 2x20 h VAL 111 CO 0.05 0.58 0.64 -1.28 0.02 0.00 0.00 177.57 177.58 2x20 h SER 112 N 0.61 1.00 -0.18 0.57 0.87 -1.13 -1.11 113.55 114.18 2x20 h SER 112 Ca -0.00 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2x20 h SER 112 Cb 1.21 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2x20 h SER 112 CO 0.13 0.61 0.13 0.50 -0.53 0.00 0.00 176.83 177.67 2x20 h LYS 113 N 1.12 0.00 -0.46 2.24 3.64 -1.28 -1.11 116.57 120.71 2x20 h LYS 113 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2x20 h LYS 113 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2x20 h LYS 113 CO -0.20 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.42 2x20 n ILE 114 N -4.40 0.66 -3.65 2.00 -5.35 -0.46 -4.92 119.36 103.24 2x20 n ILE 114 Ca 0.01 -0.83 -0.38 0.00 -0.27 0.00 0.00 62.75 61.28 2x20 n ILE 114 Cb 0.27 0.82 -0.12 0.00 -1.74 0.00 0.00 39.64 38.87 2x20 n ILE 114 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2x20 s THR 115 N -1.28 4.85 0.35 7.28 2.01 -0.42 -4.59 115.64 123.84 2x20 s THR 115 Ca 0.39 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 2x20 s THR 115 Cb 0.22 -3.35 -0.11 0.00 0.01 0.00 0.00 72.50 69.27 2x20 s THR 115 CO 0.30 0.22 1.43 -0.62 -0.69 0.00 0.00 174.62 175.25 2x20 s ASP 116 N 1.68 6.51 0.60 3.53 -1.08 0.77 -4.88 116.67 123.81 2x20 s ASP 116 Ca 0.06 2.90 0.29 0.00 -0.52 0.00 0.00 52.55 55.27 2x20 s ASP 116 Cb -0.16 -2.66 1.48 0.00 -1.46 0.00 0.00 42.92 40.12 2x20 s ASP 116 CO 0.08 -0.75 1.89 1.55 0.52 0.00 0.00 175.17 178.46 2x20 h PRO 117 N 3.37 0.00 0.00 4.34 0.13 -1.94 -1.69 132.00 136.21 2x20 h PRO 117 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2x20 h PRO 117 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2x20 h PRO 117 CO 0.66 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.30 2x20 h LYS 118 N 0.00 0.00 -0.40 0.86 1.57 -1.97 -3.39 116.57 113.24 2x20 h LYS 118 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2x20 h LYS 118 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2x20 h LYS 118 CO -0.00 0.00 0.22 0.28 -0.57 0.00 0.00 179.45 179.37 2x20 h VAL 119 N 0.00 1.16 -0.49 0.50 2.07 -1.66 -1.38 116.25 116.46 2x20 h VAL 119 Ca 0.00 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2x20 h VAL 119 Cb 0.77 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2x20 h VAL 119 CO 0.00 0.16 0.30 -0.65 0.02 0.00 0.00 177.57 177.40 2x20 h PRO 120 N 0.52 0.58 -0.26 1.57 0.11 -1.79 -0.48 132.00 132.25 2x20 h PRO 120 Ca 0.14 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 2x20 h PRO 120 Cb 0.07 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2x20 h PRO 120 CO -0.02 0.39 -0.19 0.00 -0.21 0.00 0.00 178.00 177.97 2x20 h ALA 121 N 1.21 1.19 -0.10 -0.75 0.00 -1.74 -0.12 119.26 118.94 2x20 h ALA 121 Ca 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2x20 h ALA 121 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2x20 h ALA 121 CO -0.07 0.52 -0.05 -0.92 0.00 0.00 0.00 179.25 178.72 2x20 h TYR 122 N 0.43 0.25 -0.44 0.00 3.20 -0.93 -1.43 116.97 118.04 2x20 h TYR 122 Ca 0.07 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2x20 h TYR 122 Cb 0.57 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 2x20 h TYR 122 CO 0.02 0.57 0.00 0.52 -1.64 0.00 0.00 178.16 177.63 2x20 h MET 123 N -0.15 0.11 -0.22 1.82 2.86 -0.81 -2.10 114.93 116.45 2x20 h MET 123 Ca 0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2x20 h MET 123 Cb 0.50 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2x20 h MET 123 CO 0.02 0.07 0.05 -0.22 1.06 0.00 0.00 176.91 177.89 2x20 h LYS 124 N 0.12 0.31 0.00 1.72 3.64 -0.98 -2.07 116.57 119.31 2x20 h LYS 124 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2x20 h LYS 124 Cb 0.32 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2x20 h LYS 124 CO -0.36 0.29 0.00 0.66 -2.27 0.00 0.00 179.45 177.77 2x20 h SER 125 N 0.31 0.00 0.15 4.20 4.64 -0.53 -2.11 113.55 120.21 2x20 h SER 125 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2x20 h SER 125 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2x20 h SER 125 CO -0.00 0.00 -0.33 0.18 -0.87 0.00 0.00 176.83 175.81 2x20 n LEU 126 N -2.30 1.35 0.00 5.97 4.77 -0.78 -4.93 117.00 121.09 2x20 n LEU 126 Ca 0.01 -0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 2x20 n LEU 126 Cb 0.18 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 2x20 n LEU 126 CO 0.18 0.25 -0.21 1.33 -1.33 0.00 0.00 177.39 177.60 2x20 n VAL 127 N -0.44 0.00 -2.36 4.08 0.24 -0.79 -4.89 118.33 114.16 2x20 n VAL 127 Ca 0.11 -2.19 -0.43 0.00 -2.04 0.00 0.00 64.34 59.80 2x20 n VAL 127 Cb 0.39 0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 33.19 2x20 n VAL 127 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2x20 s ASN 128 N -3.53 6.81 0.20 -1.34 3.84 -1.26 -4.93 114.94 114.73 2x20 s ASN 128 Ca 0.01 1.62 -0.10 0.00 0.21 0.00 0.00 52.86 54.60 2x20 s ASN 128 Cb 0.00 -2.54 0.25 0.00 -0.55 0.00 0.00 41.25 38.42 2x20 s ASN 128 CO 0.01 -0.89 1.74 1.23 -2.79 0.00 0.00 177.10 176.40 2x20 h GLY 129 N 10.20 0.79 1.42 1.21 0.00 -1.96 -0.81 103.07 113.92 2x20 h GLY 129 Ca -0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2x20 h GLY 129 CO 0.99 -0.03 0.32 0.00 0.00 0.00 0.00 176.54 177.82 2x20 h ALA 130 N 1.40 1.51 -0.06 3.60 0.00 -1.97 -0.97 119.26 122.77 2x20 h ALA 130 Ca 0.29 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 2x20 h ALA 130 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x20 h ALA 130 CO -0.30 0.42 -0.59 -0.44 0.00 0.00 0.00 179.25 178.33 2x20 h ASP 131 N 0.78 0.23 -0.05 0.00 3.32 -1.62 -0.36 116.42 118.72 2x20 h ASP 131 Ca 0.20 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 2x20 h ASP 131 Cb -0.00 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2x20 h ASP 131 CO -0.04 0.77 -0.60 0.00 -1.72 0.00 0.00 179.24 177.66 2x20 h ALA 132 N 1.23 0.58 -0.46 3.45 0.00 -0.67 -0.15 119.26 123.25 2x20 h ALA 132 Ca -0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 2x20 h ALA 132 Cb 1.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2x20 h ALA 132 CO 0.09 0.70 -0.20 0.93 0.00 0.00 0.00 179.25 180.77 2x20 h GLU 133 N 0.49 0.94 -0.62 0.00 5.08 -1.00 -1.52 114.58 117.96 2x20 h GLU 133 Ca -0.00 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.88 2x20 h GLU 133 Cb 1.17 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2x20 h GLU 133 CO 0.12 1.07 0.11 -0.22 -1.00 0.00 0.00 179.01 179.08 2x20 h LYS 134 N 0.79 1.01 -0.51 2.33 3.64 -0.91 -0.84 116.57 122.08 2x20 h LYS 134 Ca 0.11 -0.27 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2x20 h LYS 134 Cb 0.77 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 2x20 h LYS 134 CO 0.06 0.95 0.24 0.00 -2.27 0.00 0.00 179.45 178.43 2x20 h ALA 135 N 1.03 0.65 -0.46 5.00 0.00 -0.77 -0.49 119.26 124.22 2x20 h ALA 135 Ca 0.19 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2x20 h ALA 135 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2x20 h ALA 135 CO 0.01 -0.12 -0.20 -0.92 0.00 0.00 0.00 179.25 178.02 2x20 h TYR 136 N 0.47 1.09 -0.29 0.00 3.20 -1.10 0.61 116.97 120.95 2x20 h TYR 136 Ca 0.23 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2x20 h TYR 136 Cb 0.17 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2x20 h TYR 136 CO -0.12 1.07 -0.12 0.93 -1.64 0.00 0.00 178.16 178.28 2x20 h GLU 137 N 0.79 0.49 -0.37 1.82 5.08 -0.98 -1.21 114.58 120.20 2x20 h GLU 137 Ca 0.11 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2x20 h GLU 137 Cb 0.78 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2x20 h GLU 137 CO 0.06 0.61 0.16 0.78 -1.00 0.00 0.00 179.01 179.62 2x20 h GLY 138 N 0.92 0.49 0.55 -3.84 0.00 -0.64 -2.51 103.07 98.04 2x20 h GLY 138 Ca 0.08 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.39 2x20 h GLY 138 CO 0.03 0.06 0.33 -2.75 0.00 0.00 0.00 176.54 174.20 2x20 h PHE 139 N 0.33 0.59 -0.61 5.60 3.57 -0.38 -1.31 116.94 124.73 2x20 h PHE 139 Ca 0.17 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 2x20 h PHE 139 Cb 0.11 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2x20 h PHE 139 CO -0.12 0.23 0.15 -0.07 -2.23 0.00 0.00 178.31 176.27 2x20 h LEU 140 N 0.58 0.89 -0.71 0.59 3.38 -0.91 0.85 115.31 119.99 2x20 h LEU 140 Ca 0.31 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2x20 h LEU 140 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2x20 h LEU 140 CO -0.24 0.87 -0.11 0.00 0.09 0.00 0.00 178.44 179.05 2x20 h ALA 141 N 1.25 0.90 -0.35 1.53 0.00 -1.13 -2.92 119.26 118.54 2x20 h ALA 141 Ca 0.20 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2x20 h ALA 141 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x20 h ALA 141 CO -0.00 0.63 -0.39 0.35 0.00 0.00 0.00 179.25 179.85 2x20 h PHE 142 N 0.79 1.06 0.00 0.00 3.57 -0.65 -2.85 116.94 118.86 2x20 h PHE 142 Ca 0.13 -0.33 -0.06 0.00 3.53 0.00 0.00 57.97 61.24 2x20 h PHE 142 Cb 0.63 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2x20 h PHE 142 CO 0.04 1.14 -0.29 1.57 -2.23 0.00 0.00 178.31 178.54 2x20 h LYS 143 N 0.67 0.00 -0.18 1.11 5.09 -0.81 -0.98 116.57 121.48 2x20 h LYS 143 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.73 2x20 h LYS 143 Cb 0.98 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.30 2x20 h LYS 143 CO 0.09 0.29 -0.14 -0.44 -2.09 0.00 0.00 179.45 177.16 2x20 h ASP 144 N 0.00 0.27 -0.08 7.07 3.32 -1.31 0.39 116.42 126.08 2x20 h ASP 144 Ca -0.00 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.78 2x20 h ASP 144 Cb 0.74 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.23 2x20 h ASP 144 CO 0.04 0.44 -0.76 0.58 -1.72 0.00 0.00 179.24 177.82 2x20 h VAL 145 N 0.27 1.32 -0.04 -1.35 2.07 -1.17 -3.06 116.25 114.29 2x20 h VAL 145 Ca 0.05 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.57 2x20 h VAL 145 Cb 0.41 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 2x20 h VAL 145 CO 0.02 0.62 -0.06 0.58 0.02 0.00 0.00 177.57 178.76 2x20 h VAL 146 N 0.31 0.84 -0.84 2.57 2.07 -1.05 -1.99 116.25 118.16 2x20 h VAL 146 Ca -0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.61 2x20 h VAL 146 Cb 1.41 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 2x20 h VAL 146 CO 0.15 0.00 0.55 0.50 0.02 0.00 0.00 177.57 178.79 2x20 h LYS 147 N -0.08 0.48 0.00 1.57 3.64 -1.00 -1.50 116.57 119.68 2x20 h LYS 147 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2x20 h LYS 147 Cb 0.14 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2x20 h LYS 147 CO -0.09 0.32 0.00 0.87 -2.27 0.00 0.00 179.45 178.28 2x20 h LYS 148 N 0.50 0.00 -0.01 1.90 1.57 -1.26 -1.91 116.57 117.36 2x20 h LYS 148 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2x20 h LYS 148 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2x20 h LYS 148 CO -0.16 0.00 -0.27 0.43 -0.57 0.00 0.00 179.45 178.88 2x20 n SER 149 N -2.94 1.27 -0.59 0.86 7.64 -0.60 -5.11 113.62 114.15 2x20 n SER 149 Ca 0.02 -1.07 0.14 0.00 1.01 0.00 0.00 58.87 58.97 2x20 n SER 149 Cb 0.38 0.18 0.43 0.00 -1.01 0.00 0.00 64.21 64.18 2x20 n SER 149 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70